0 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.1 CCOC(=O)CCC#N CS-0094471 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.1 CCOC(=O)\C=C\C=O CS-W020184 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.3 COC(=O)CCCBr CS-W004701 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.3 COC(=O)CCCCl CS-0001466 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.7 CC#CC(=O)OCC CS-W009547 [1,0,0,0,0,0|0,0,2]=3 8 B7R0.7 CCOC(=O)CCBr CS-W007449 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.7 CCOC(=O)CNC CS-W020595 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,1,0,0,0,0|0,0,1]=2 12 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,1,0,0,0,0|1,0,1]=3 13 B9R0.34 CCOC(=O)NC(=O)CCl CS-0093623 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,1,0,0,0,0|0,0,1]=2 15 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.48 CCOC(=O)\C=C\N(C)C CS-0028335 [0,1,0,0,0,0|1,0,2]=4 17 B9R0.48 CCOC(=O)\C=C\N(C)C CS-W008982 [0,1,0,0,0,0|1,0,2]=4 18 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.73 CCOC(=N)C1CCC1 CS-B1686 [0,0,0,1,0,0|1,0,0]=2 20 B9R1.73 CCOC(=O)C1CCC1 CS-D1706 [0,0,0,1,0,0|0,0,0]=1 21 B6R0.1 CC#CC(=O)OC CS-0066219 [2,0,0,0,0,0|0,0,2]=4 22 B6R0.1 CCCC(Cl)CC CS-0102884 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.1 CCOC(=O)C#N CS-0022374 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.1 CCOC(=O)CO CS-W019892 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.1 COC(=O)CCBr CS-W008728 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 C#CCCC(=O)O CS-W008784 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.4 C=CCCC(=O)O CS-W009138 [2,0,0,0,0,0|0,0,2]=4 28 B6R0.4 CC(=O)NCCN CS-W013694 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 CC(=O)NCCO CS-W013689 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.4 N#CCCC(=O)O CS-W018565 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.4 CCOCCOCCO CS-0015134 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.3 CCC[C@@H](N)C(=O)OC CS-M2701 [1,1,0,0,0,0|0,0,0]=2 35 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [1,1,0,0,0,0|0,0,1]=3 37 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [1,1,0,0,0,0|0,0,0]=2 38 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [1,1,0,0,0,0|0,0,0]=2 39 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [1,1,0,0,0,0|2,0,0]=4 40 B10R0.28 CC(C)(C)OC(=O)CCCO CS-W020459 [0,2,0,0,0,0|1,0,0]=3 41 B10R0.28 CC(C)(C)OC(=O)NCCBr CS-W007731 [0,2,0,0,0,0|2,0,0]=4 42 B10R0.28 CCNCC(=O)OC(C)(C)C CS-W018855 [0,2,0,0,0,0|1,0,0]=3 43 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC CS-W010608 [0,2,0,0,0,0|0,0,0]=2 44 B10R0.1 CCOC(=O)CCCCCO CS-W023138 [0,2,0,0,0,0|0,0,0]=2 45 B10R0.2 CCOC(=O)C[C@H](O)CC#N CS-W002591 [0,2,0,0,0,0|0,0,1]=3 46 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,2,0,0,0,0|0,0,0]=2 47 B10R0.19 CCOC(=O)[C@@H](N)CCCN CS-0101217 [0,2,0,0,0,0|0,0,0]=2 48 B10R0.26 CCOC(=O)CC(=O)C(C)C CS-W016205 [0,2,0,0,0,0|0,0,1]=3 49 B10R0.109 CCOC(=O)CCC(F)(F)F CS-B0243 [0,2,0,0,0,0|1,0,0]=3 50 B8R1.2 NCC1CCOCC1 CS-W008973 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.2 OCC1CCOCC1 CS-D1227 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [1,0,0,1,0,0|0,0,2]=4 53 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.3 CC1CCC(O)CC1 CS-0059254 [1,0,0,1,0,0|0,0,2]=4 58 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [1,0,0,1,0,0|1,0,1]=4 62 B10R1.61 CC(C)C1CNCCC1=O CS-D1334 [0,1,0,1,0,0|2,0,0]=4 63 B10R1.130 CCCC1=CC(=O)OC1O CS-B0865 [0,1,0,1,0,0|1,0,1]=4 64 B10R1.11 CCOC(=O)[C@@H]1CSCN1 CS-0043107 [0,1,0,1,0,0|1,0,0]=3 65 B10R1.11 CCOC(=O)[C@H]1CCCN1 CS-0080165 [0,1,0,1,0,0|0,0,0]=2 66 B10R1.29 CCCCN1CCCC1=O CS-W016436 [0,1,0,1,0,0|1,0,0]=3 67 B10R1.78 O=C1CCCCCCCN1 CS-0090258 [0,1,0,1,0,0|1,0,0]=3 68 B10R1.135 CCOC(=O)C1CC1C#N CS-0049506 [0,1,0,1,0,0|0,0,1]=3 69 B10R1.137 CCOC(=O)CC1CCC1 CS-D0101 [0,1,0,1,0,0|0,0,0]=2 70 B10R1.138 CCCC(=O)OC[C@H]1CO1 CS-D1790 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.4 O=C1CNCCN1CCO CS-W020478 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.140 CCOC(=O)C1CC(O)C1 CS-0044007 [0,1,0,1,0,0|0,0,0]=2 73 B10R1.401 CCOC(=O)C1(Br)CCC1 CS-0034793 [0,1,0,1,0,0|0,0,0]=2 74 B10R1.401 CCOC(=O)C1(C)CCC1 CS-0045362 [0,1,0,1,0,0|0,0,0]=2 75 B10R2.62 O=C1CN2CCC1CC2 CS-B0309 [0,0,0,2,0,0|2,0,0]=4